CID 3040516

Spiro(1,3-benzodioxole-2,1'-cyclohexane)-2-methylamine, n-(2-(diethylamino)ethyl)-, dimaleate

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCN(CC)CCNCC1CCCCC12OC3=CC=CC=C3O2
InChI
InChI=1S/C19H30N2O2/c1-3-21(4-2)14-13-20-15-16-9-7-8-12-19(16)22-17-10-5-6-11-18(17)23-19/h5-6,10-11,16,20H,3-4,7-9,12-15H2,1-2H3
InChIKey
HMWPSQRKLTZRMJ-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 178.6
[M+Na]+ 341.21996 181.4
[M-H]- 317.22346 185.9
[M+NH4]+ 336.26456 195.1
[M+K]+ 357.19390 180.6
[M+H-H2O]+ 301.22800 170.9
[M+HCOO]- 363.22894 197.0
[M+CH3COO]- 377.24459 214.3
[M+Na-2H]- 339.20541 182.9
[M]+ 318.23019 178.4
[M]- 318.23129 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.